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Ligand

NameCID 11954340
Molecular formulaC17H21Cl2F3N5Na4O12P3S2
IUPAC nametetrasodium;[dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate
Molecular weight864.274
Hydrogen bond acceptor21
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyCOWWROCHWNGJHQ-OPKBHZIBSA-J
Inchi IDInChI=1S/C17H25Cl2F3N5O12P3S2.4Na/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32;;;;/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32);;;;/q;4*+1/p-4/t8-,10-,11-,14-;;;;/m1..../s1
PubChem CID11954340
ChEMBLCHEMBL1097279
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47066P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
47065Uracil nucleotide/cysteinyl leukotriene receptorQ13304GPR17Homo sapiens (Human)367

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